张为超 - 江苏师范大学 - 化学与材料科学学院

研究领域

1. 气相和液相反应动力学的理论计算研究； 2. 过渡金属络合物催化反应机理的理论计算研究。

近期论文

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Weichao Zhang, Dongju Zhang，The OH-initiated atmospheric oxidation of divinyl sulfoxide: A theoretical investigation on the reaction mechanism. Chemical Physics Letters, 2012, 543, 61-67. Weichao Zhang、Benni Du、Changjun Feng, Theoretical investigation on mechanism for OH-initiated oxidation of CH2=C(CH3)CH2OH. Theoretical Chemistry Accounts, 2010, 125(1-2), 45–55. Weichao Zhang、Changjun Feng、Benni Du、Lailong Mu, An ab initio and density functional theory study on the mechanism for the reaction of OH with 2-ethylfuran. Structural Chemistry, 2009, 20(3), 525-532. Weichao Zhang, Tao Wang, Changjun Feng, Benni Du, Lailong Mu, Computational studies on the mechanisms for the gas-phase reaction between thiophene and NO3, Chemical Physics Letters, 2008, 467(1-3), 52-57. Weichao Zhang, Tao Wang, Benni Du, Lailong Mu, Changjun Feng, Mechanism for the gas-phase reaction between NO3 and furan: A theoretical study, Chemical Physics Letters, 2008, 455(4-6)，164-168. Weichao Zhang, Benni Du, Lailong Mu, Changjun Feng, Mechanism for the gas-phase reaction between OH and 3-methylfuran: A theoretical study, International Journal of Quantum Chemistry, 2008, 108(7)，1232. Weichao Zhang, Benni Du, Lailong Mu, Changjun Feng, Computational study on the mechanism for the reaction of OH with 2-methylfuran, Journal of Molecular Structure: THEOCHEM, 2008, 851(1-3)，353. Weichao Zhang、Benni Du、Changjun Feng, Theoretical study of reaction mechanism for NCO + HCNO, Chemical Physics Letters, 2007, 442(1-3)，1-6. Weichao Zhang、Benni Du, Ab Initio Quantum Chemical Studies of the Reactions of CF3CFHO2 With HO2, International Journal of Quantum Chemistry, 2007, 107(1)，46-55. Weichao Zhang、Benni Du, Ab initio quantum chemical studies of reaction mechanism for CN with CH2CO, International Journal of Quantum Chemistry, 2006, 106(5)，1076-1085.